1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid

C11H17NO3 — CID 90192036

IUPAC1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid
SMILESCCOC(C)Cn1ccc(C)c1C(=O)O
InChIInChI=1S/C11H17NO3/c1-4-15-9(3)7-12-6-5-8(2)10(12)11(13)14/h5-6,9H,4,7H2,1-3H3,(H,13,14)
InChIKeyFXFGHUYGQLXPIC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.92
Rot. Bonds5

About 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid

1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid (PubChem CID 90192036) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid
PubChem CID90192036
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid
SMILESCCOC(C)Cn1ccc(C)c1C(=O)O
InChIInChI=1S/C11H17NO3/c1-4-15-9(3)7-12-6-5-8(2)10(12)11(13)14/h5-6,9H,4,7H2,1-3H3,(H,13,14)
InChIKeyFXFGHUYGQLXPIC-UHFFFAOYSA-N
XLogP1.92
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid?
The IUPAC name of 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid (CID 90192036) is 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid is CCOC(C)Cn1ccc(C)c1C(=O)O.
What is the InChIKey of 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid?
The InChIKey is FXFGHUYGQLXPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-15-9(3)7-12-6-5-8(2)10(12)11(13)14/h5-6,9H,4,7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid?
1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)-3-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 90192036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).